2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide

C24H20Cl2N2O2 — CID 23766476

About 2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide

2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 23766476) has the molecular formula C24H20Cl2N2O2 and a molecular weight of 439.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
• PubChem CID: 23766476
• Molecular Formula: C24H20Cl2N2O2
• Molecular Weight: 439.34 g/mol
• Exact Mass: 438.09
• IUPAC Name: 2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
• SMILES: Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C24H20Cl2N2O2/c1-13(2)15-6-9-22-21(10-15)28-24(30-22)16-5-4-14(3)20(11-16)27-23(29)18-12-17(25)7-8-19(18)26/h4-13H,1-3H3,(H,27,29)
• InChIKey: XPQUBWBKCIBTFX-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.34
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?

The IUPAC name of 2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 23766476) is 2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide.

What is the SMILES notation for 2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?

The canonical SMILES for 2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide is Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl.

What is the InChIKey of 2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?

The InChIKey is XPQUBWBKCIBTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O2/c1-13(2)15-6-9-22-21(10-15)28-24(30-22)16-5-4-14(3)20(11-16)27-23(29)18-12-17(25)7-8-19(18)26/h4-13H,1-3H3,(H,27,29).

What are the key properties of 2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?

2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 439.34 g/mol, XLogP of 7.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 23766476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).